element(s):
['Be', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6481']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[3.6481, 0, 0], [0, 3.6481, 0], [0, 0, 3.6481]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:00      -43.092183        8.4371
BFGS:    1 14:18:00      -44.370657        8.6079
BFGS:    2 14:18:00      -45.674111        8.7698
BFGS:    3 14:18:00      -47.001036        8.9205
BFGS:    4 14:18:00      -48.349575        9.0575
BFGS:    5 14:18:00      -49.717469        9.1781
BFGS:    6 14:18:00      -51.102009        9.2789
BFGS:    7 14:18:01      -52.499963        9.3563
BFGS:    8 14:18:01      -53.911893        9.4495
BFGS:    9 14:18:01      -55.331222        9.4691
BFGS:   10 14:18:01      -56.750742        9.4528
BFGS:   11 14:18:01      -58.164616        9.3910
BFGS:   12 14:18:01      -59.565523        9.2786
BFGS:   13 14:18:01      -60.945284        9.1077
BFGS:   14 14:18:01      -62.294465        8.8693
BFGS:   15 14:18:01      -63.606650        8.5877
BFGS:   16 14:18:01      -64.865740        8.1843
BFGS:   17 14:18:01      -66.056852        7.6790
BFGS:   18 14:18:01      -67.163605        7.0569
BFGS:   19 14:18:01      -68.168056        6.3130
BFGS:   20 14:18:01      -69.052100        5.4524
BFGS:   21 14:18:02      -69.791369        4.3736
BFGS:   22 14:18:02      -70.354268        3.0965
BFGS:   23 14:18:02      -70.709035        1.5936
BFGS:   24 14:18:02      -70.819479        0.1667
BFGS:   25 14:18:02      -70.820575        0.0120
BFGS:   26 14:18:02      -70.820581        0.0001
BFGS:   27 14:18:02      -70.820581        0.0000
BFGS:   28 14:18:02      -70.820581        0.0000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.056430313233799e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.64614935e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.64614935e-48 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.102898625825059, -2.625762727810994e-32, 4.816796937486342e-33], [-2.3489529714980118e-32, 3.1028986258250586, 1.675156870036389e-17], [-3.26036815986801e-33, 1.6751568700363897e-17, 3.102898625825059]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.05643031e-14  3.05643031e-14  3.05643031e-14 -2.98495091e-32
  4.26740666e-34 -3.82357534e-52]
energy per atom =  -8.85257261132382
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0